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We established a model to simulate the growth process of nitridation and clarified the inner mechanisms of nitridation and over-nitridation by combining the kinetic Monte Carlo and molecular dynamics methods.Supported by reflection high-energy electron diffraction results with growth in an MBE system,the tendency of nitridation on α- sapphire in different conditions was observed and analyzed.The best conditions for nitridation on the α-sapphire surface are found by our simulation.
We established a model to simulate the growth process of nitridation and clarified the inner mechanisms of nitridation and over-nitridation by combining the kinetic Monte Carlo and molecular dynamics methods. Support-by-reflection high-energy electron diffraction results with growth in an MBE system, the tendency of nitridation on α- sapphire in different conditions was observed and analyzed. the best conditions for nitridation on the α-sapphire surface are found by our simulation.